S693-0033 Screening compound: 2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

S693-0033 Screening compound: 2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one
S693-0033 Screening compound: 2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0033
2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S693-0033

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

IUPAC name

2-(3-methoxyphenyl)-1-{3-[(5-methyl-2-phenyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}ethan-1-one

SMILES

Cc1cnc(-c2ccccc2)n1CC(CCC1)CN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C25H29N3O2/c1-19-16-26-25(22-10-4-3-5-11-22)28(19)18-21-9-7-13-27(17-21)24(29)15-20-8-6-12-23(14-20)30-2/h3-6,8,10-12,14,16,21H,7,9,13,15,17-18H2,1-2H3/t21-/m0/s1

InChI Key

WCHDIWBZOFCGFE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31966483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.48

Polar Surface Area

34.750

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

S693-0033 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S693-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0033?
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What is the minimum amount of S693-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0033
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S693-0033 available by request